N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C13H17N3O3S — CID 44775191

About N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 44775191) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 44775191
• Molecular Formula: C13H17N3O3S
• Molecular Weight: 295.36 g/mol
• Exact Mass: 295.10
• IUPAC Name: N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: O=C(N[C@H]1CCCC[C@@H]1O)c1cnc2n(c1=O)CCS2
• InChI: InChI=1S/C13H17N3O3S/c17-10-4-2-1-3-9(10)15-11(18)8-7-14-13-16(12(8)19)5-6-20-13/h7,9-10,17H,1-6H2,(H,15,18)/t9-,10-/m0/s1
• InChIKey: XERINKCITWWFGQ-UWVGGRQHSA-N
• XLogP: 0.38
• TPSA: 84.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	295.36
LogP ≤ 5	0.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 44775191) is N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(N[C@H]1CCCC[C@@H]1O)c1cnc2n(c1=O)CCS2.

What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is XERINKCITWWFGQ-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H17N3O3S/c17-10-4-2-1-3-9(10)15-11(18)8-7-14-13-16(12(8)19)5-6-20-13/h7,9-10,17H,1-6H2,(H,15,18)/t9-,10-/m0/s1.

What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 44775191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).